Chemical Properties of Glutaric acid, 2-fluorophenyl 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C18H16F2O5/c1-23-16-11-12(19)9-10-15(16)25-18(22)8-4-7-17(21)24-14-6-3-2-5-13(14)20/h2-3,5-6,9-11H,4,7-8H2,1H3

InChI Key

UHAAIANXBUILCB-UHFFFAOYSA-N

Formula

C18H16F2O5

SMILES

COc1cc(F)ccc1OC(=O)CCCC(=O)Oc1ccccc1F

Molecular Weight¹

350.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8853		Relay (1.0) Calculated Property
ΔfG°	-665.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1034.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.21	kJ/mol	Joback Calculated Property
ΔvapH°	106.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-4.44		Relay (1.0) Calculated Property
logPoct/wat	3.655		Crippen Calculated Property
McVol	241.250	ml/mol	McGowan Calculated Property
Pc	1820.06	kPa	Joback Calculated Property
Inp	[2434.00; 2434.00]
Inp	2434.00		NIST
Inp	2434.00		NIST
Tboil	645.47	K	Relay (1.0) Calculated Property
Tc	887.62	K	Relay (1.0) Calculated Property
Tfus	350.27	K	Relay (1.0) Calculated Property
Vc	0.895	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[707.09; 762.42]	J/mol×K	[853.08; 1067.96]
Cp,gas	707.09	J/mol×K	853.08	Joback Calculated Property
Cp,gas	719.24	J/mol×K	888.89	Joback Calculated Property
Cp,gas	730.22	J/mol×K	924.71	Joback Calculated Property
Cp,gas	740.02	J/mol×K	960.52	Joback Calculated Property
Cp,gas	748.65	J/mol×K	996.33	Joback Calculated Property
Cp,gas	756.12	J/mol×K	1032.14	Joback Calculated Property
Cp,gas	762.42	J/mol×K	1067.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl 4-fluoro-2-methoxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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